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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Spreading of lithium on a stainless steel surface at room temperature

Lithium conditioned plasma facing surfaces have lowered recycling and enhanced plasma performance on many fusion devices and liquid lithium plasma facing components are under consideration for future machines. A key factor in the performance of liquid lithium components is the wetting by lithium of its container. We have observed the surface spreading of lithium from a mm-scale particle to adjacent stainless steel surfaces using a scanning Auger microprobe that has elemental discrimination. Here, the spreading of lithium occurred at room temperature (when lithium is a solid) from one location at a speed of 0.62 μm/day under ultrahigh vacuum conditions. Separate experiments using temperature programmed desorption (TPD) investigated bonding energetics between monolayer-scale films of lithium and stainless steel. While multilayer lithium desorption from stainless steel begins to occur just above 500 K (E des = 1.54 eV), sub-monolayer Li desorption occurred in a TPD peak at 942 K (E des = 2.52 eV) indicating more energetically favorable lithium-stainless steel bonding (in the absence of an oxidation layer) than lithium lithium bonding.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

In-situ TEM study of microstructural evolution in NFA and Cr 3 C 2 @SiC-NFA composite during ion irradiation

In this article, the ion irradiation responses of a Fe-based nanostructured ferritic alloy or ‘NFA’ (Fe–9Cr–2W–0.2V–0.4Ti–0.3Y 2 O 3 ) and a Cr 3 C 2 @SiC-NFA composite were assessed. In-situ ion irradiation with TEM observation was carried out by using 1 MeV Kr ++ ions at doses of 0, 1, 3, 5, 10 dpa and temperatures of 300 °C and 450 °C. Both the NFA and Cr 3 C 2 @SiC-NFA samples showed significant dislocation density after 10 dpa at 300 °C. However, the Cr 3 C 2 @SiC-NFA composite showed a significantly lower dislocation loop density and a smaller average loop size during the irradiation at 450 °C as opposed to the NFA. At 300 °C, 1/2<111> type dislocation loops were observed in both the NFA and Cr 3 C 2 @SiC-NFA samples. Interestingly, at 450 °C, <100> type loops were dominant in the NFA sample while 1/2<111> type loops were still dominant in the Cr 3 C 2 @SiC-NFA sample. The results were discussed based on the large surface sink effects and enhanced interstitial-vacancy recombination at higher temperatures. Lastly, the additional Si element in the Cr 3 C 2 @SiC-NFA sample might have played a significant role in determining the dominant loop types.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Decoupling the effects of substrate hardness and roughness upon particle adhesion in cold spray

There are two stages of particle adhesion relevant to cold spray: adhesion of the first layer to the substrate, followed by inter-particle adhesion during subsequent deposition. In this work we study the second of these, in which particles strike a previously-deposited layer that is roughened and hardened by prior particle impacts. Specifically, we decouple the effects of surface roughness and hardness on particle adhesion for copper-on-copper impacts. We measure changes to the critical velocity, V cr , in single particle impacts produced by the Laser Induced Particle Impact Test on several surfaces including a cold sprayed surface and a polished version of that surface. We find that increases in both substrate roughness and hardness suppress particle adhesion to higher velocities, indeed in rather equal proportion by ∼10–15% each. This suggests that there is a higher V cr associated with coating build-up (particle-particle bonding) that is overall ∼30% higher than V cr for particle-substrate adhesion.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Portable Distortion Free Large Solid Angle Coverage Detector

Neutron single crystal diffractometers require large solid angle coverage for optimum performance. This can be achieved by tiling flat detectors in a cylindrical or spherical geometry, but results in large gaps in detector coverage and parallax distortion. The detector edges exhibit degraded resolution, distortion, and gamma rejection. Since the detector edge regions are a significant fraction of the detector active area, they must be removed from the experimental data set, requiring extra beam time to collect enough analysis data. A spherical detector with a continuous surface would effectively address this issue while eliminating most boundary ‘dead’ areas. Here we report on the development of a novel hemispherical shaped neutron detector using seamlessly tiled readout modules to form the desired shape. The heart of the detector is a specially developed curved neutron scintillator coupled to high resolution silicon photomultiplier (SiPM) Anger cameras via custom made fiber optic tapers (FOTs). The detector has been assembled and initial tests have been conducted at the High Flux Isotope Reactor (HFIR) beamlines at Oak Ridge National Laboratory (ORNL). Here, in this work, we describe details of the scintillator design, fabrication and characterization, evaluation of individual detector modules, the details of the detector design implementation, and evaluation of the assembled detector at ORNL beamlines.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

The current status of high temperature electrochemistry-based CO 2 transport membranes and reactors for direct CO 2 capture and conversion

The concept of direct CO 2 capture and conversion has attracted significant interest from industries and academia in recent decades due to its potential to address the current grand challenge of global warming/climate change, rapid depletion of fossil fuels and realization of a future carbon neutral ecosystem. The incumbent benchmark technology for CO 2 capture is the post-combustion flue-gas “amine washing”, which is energy intensive and costly for large-scale commercial implementation. The CO 2 conversion technologies, on the other hand, are still at their infancy with many technical challenges to overcome, but primarily being explored in laboratory-scale, low-temperature, solution-based and high-temperature, solid-oxide-based electrochemical cells with renewable electricity perceived as the energy input. In this article, we provide a comprehensive overview on an emergent class of high-temperature electrochemical CO 2 transport membranes that can capture and convert CO 2 into valuable chemicals in single catalytic reactor fashion. The review starts with the chemistry and transport theory of three basic types of membranes purposely designed for different CO 2 feedstocks and downstream conversions. A range of key functional materials used in these membranes and their microstructural/electrochemical properties important to the CO 2 transport are then thoroughly discussed in conjunction with the effects of surface modifications and operating conditions. Several types of combined CO 2 capture and conversion catalytic reactors based on these membranes are also assessed with a focus on their working principles, system configurations and performance demonstrations. Finally, challenges and prospective of these electrochemical CO 2 transport membranes and their associated conversion reactors are candidly discussed for future development.

10 SYNTHETIC FUELS↗
DOE OSTI2016

High temperature interface superconductivity

High-T c superconductivity at interfaces has a history of more than a couple of decades. In this review we focus our attention on copper-oxide based heterostructures and multi-layers. We first discuss the technique, atomic layer-by-layer molecular beam epitaxy (ALL-MBE) engineering, that enabled High-T c Interface Superconductivity (HT-IS), and the challenges associated with the realization of high quality interfaces. Then we turn our attention to the experiments which shed light on the structure and properties of interfacial layers, allowing comparison to those of single-phase films and bulk crystals. Both ‘passive’ hetero-structures as well as surface-induced effects by external gating are discussed. Here, we conclude by comparing HT-IS in cuprates and in other classes of materials, especially Fe-based superconductors, and by examining the grand challenges currently laying ahead for the field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Brownian-like kinematics of ball milling for particulate structural modeling

Ball milling motion has been previously studied through computationally expensive, off-line experimental video processing and numerical simulations by the discrete element method. Here, this research establishes a more efficient formulation of the ball energetics and kinetics similar to the Brownian kinetic theory of statistical mechanics. Based on assumptions of thermomechanical equilibrium, negligible gravitational, aerodynamic and surface condition effects, and decoupled impact interaction among balls and with milled particulates, this model proposes mono-parametric spectral energy and velocity probability density functions akin to Maxwell-Boltzmann statistics, along with uniformly distributed impact directionality. The model predictions are calibrated and validated by comparison with published experimental measurements and computationally derived spectra. This descriptive Brownian-like motion model enables effective simulation of contact and impact, material deformation and micro-joining of ball milled bimetallic powders. A comprehensive simulation of the evolving internal fractal microstructure of the processed particulates is implemented at real-time computation speed, and its predictions are compared with experimental micrographs of ball milled Ni—Al particulates.

42 ENGINEERING↗
DOE OSTI2011

Effects of Doping on the Surface Energies of Nanocrystals and Evidence from Studies at High Pressure

Zn{sub 1-X}Mn{sub X}S (X = 0.85% and 1.26%) nanoparticles have been synthesized using a specially designed equipment and we have studied the influence of doping Mn{sup 2+} on the surface energy of ZnS. The high pressure behaviors of ZnS nanocrystals with different dopant contents have been investigated using angle-dispersive synchrotron X-ray powder diffraction up to 45.1 GPa. Theoretical calculations show that doping with Mn{sup 2+} increases the surface energy of the nanocrystals. The theoretical result has been further corroborated by our experimental observation of an increase in the phase transition pressure of Mn{sup 2+} doped ZnS nanocrystals in diamond-anvil-cell studies.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Ultra-High Resolution Ion Mobility Separations Utilizing Traveling Waves in a 13 m Serpentine Path Length Structures for Lossless Ion Manipulations Module

We report the development and initial evaluation of a 13-m path length Structures for Lossless Manipulations (SLIM) module for achieving high resolution separations using traveling waves (TW) with ion mobility (IM) spectrometry. The TW SLIM module was fabricated using two mirror-image printed circuit boards with appropriately configured RF, DC and TW electrodes and positioned with a 2.75-mm inter-surface gap. Ions were effective confined between the surfaces by RF-generated pseudopotential fields and moved losslessly through a serpentine path including 44 “U” turns using TWs. The ion mobility resolution was characterized at different pressures, gaps between the SLIM surfaces, TW and RF parameters. After initial optimization the SLIM IM-MS module provided about 5-fold higher resolution separations than present commercially available drift tube or traveling wave IM-MS platforms. Peak capacity and peak generation rates achieved were 246 and 370 s-1, respectively, at a TW speed of 148 m/s. The high resolution achieved in the TW SLIM IM-MS enabled e.g., isomeric sugars (Lacto-N-fucopentaose I and Lacto-N-fucopentaose II) to be baseline resolved, and peptides from a albumin tryptic digest much better resolved than with existing commercial IM-MS platforms. The present work also provides a foundation for the development of much higher resolution SLIM devices based upon both considerably longer path lengths and multi-pass designs.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2016

An Atomistic View of the Incipient Growth of Zinc Oxide Nanolayers

The growth of zinc oxide thin films by atomic layer deposition is believed to proceed through an embryonic step in which three-dimensional nanoislands form and then coalesce to trigger a layer-by-layer growth mode. This transient initial state is characterized by a poorly ordered atomic structure, which may be inaccessible by X-ray diffraction techniques. Here in this work, we apply X-ray absorption spectroscopy in situ to address the local structure of Zn after each atomic layer deposition cycle, using a custom-built reactor mounted at a synchrotron beamline, and we shed light on the atomistic mechanisms taking place during the first stages of the growth. We find that such mechanisms are surprisingly different for zinc oxide growth on amorphous (silica) and crystalline (sapphire) substrate. Ab initio simulations and quantitative data analysis allow the formulation of a comprehensive growth model, based on the different effects of surface atoms and grain boundaries in the nanoscale islands, and the consequent induced local disorder. From a comparison of these spectroscopy results with those from X-ray diffraction reported recently, we observe that the final structure of the zinc oxide nanolayers depends strongly on the mechanisms taking place during the initial stages of growth. Finally, the approach followed here for the case of zinc oxide will be of general interest for characterizing and optimizing the growth and properties of more complex nanostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Structure and Stability of the Iodide Elpasolite, Cs 2 AgBiI 6

Iodide elpasolites (or double perovskites, A 2 B'B"I 6 , B' = M + , B" = M 3+ ) are predicted to be promising alternatives to lead-based perovskite semiconductors for photovoltaic and optoelectronic applications, but no iodide elpasolite has ever been definitively prepared or structurally characterized. Iodide elpasolites are widely predicted to be unstable due to favorable decomposition to the competing A 3 B 2 I 9 (B = M 3+ ) phase. Here, we report the results of synchrotron XRD and X-ray total scattering measurements on putative Cs 2 AgBiI 6 nanocrystals made via anion exchange from parent Cs 2 AgBiBr 6 nanocrystals. Rietveld refinement of XRD and PDF data shows that these nanocrystals indeed exhibit a tetragonal ($I$$\overline{4}$$m$) elpasolite structure, making them the first example of a structurally characterized iodide elpasolite. In conclusion, a series of experiments probing structural relaxation and the effects of surface ligation or grain size all point to the critical role of surface free energy in stabilizing the iodide elpasolite phase in these nanocrystals.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Pore-Scale Analysis of Calcium Carbonate Precipitation and Dissolution Kinetics in a Microfluidic Device

In this work, we have characterized the calcium carbonate (CaCO 3 ) precipitates over time caused by reaction-driven precipitation and dissolution in a micromodel. Reactive solutions were continuously injected through two separate inlets, resulting in transverse-mixing induced precipitation during the precipitation phase. Subsequently, a dissolution phase was conducted by injecting clean water (pH = 4). The evolution of precipitates was imaged in two and three dimensions (2-, 3-D) at selected times using optical and confocal microscopy. With estimated reactive surface area, effective precipitation and dissolution rates can be quantitatively compared to results in the previous works. Our comparison indicates that we can evaluate the spatial and temporal variations of effective reactive areas more mechanistically in the microfluidic system only with the knowledge of local hydrodynamics, polymorphs, and comprehensive image analysis. Here, our analysis clearly highlights the feedback mechanisms between reactions and hydrodynamics. Pore-scale modeling results during the dissolution phase were used to account for experimental observations of dissolved CaCO 3 plumes with dissolution of the unstable phase of CaCO 3 . Mineral precipitation and dissolution induce complex dynamic pore structures, thereby impacting pore-scale fluid dynamics. Pore-scale analysis of the evolution of precipitates can reveal the significance of chemical and pore structural controls on reaction and fluid migration.

58 GEOSCIENCES↗
DOE OSTI2022

Process Modeling of CO 2 Absorption with Monoethanolamine Aqueous Solutions Using Rotating Packed Beds

A first-principle process simulation model is presented for the chemical absorption of carbon dioxide (CO 2 ) with monoethanolamine (MEA) aqueous solutions using rotating packed beds (RPB). Built on a proven rate-based packed bed absorber model, the RPB model rigorously simulates the phase and chemical equilibria at the vapor-liquid interface, the heat and mass transfer across the gas and liquid films, the fast reactions between MEA and CO 2 in the liquid film, and the RPB hydraulics. Here, estimation of the mass transfer rate across the liquid film is central to accurate simulation of the CO 2 absorption process with MEA aqueous solutions. We show that the literature lab-scale RPB data for CO 2 removal efficiency can be satisfactorily correlated by introducing a correction factor for the effective packing surface area predicted by the Onda correlation. Given the validated RPB model, we further show that, among the gas-phase mass transfer coefficient, the liquid-phase mass transfer coefficient, and the reaction rate constant for the reaction between amine and CO 2 , the reaction rate constant is the controlling step with the highest potential to enhance the CO 2 absorption performance in RPB.

42 ENGINEERING↗
DOE OSTI2018

Optical and Chemical Characterization of Uranium Dioxide (UO 2 ) and Uraninite Mineral: Calculation of the Fundamental Optical Constants

Quantitative infrared single-angle reflectance spectroscopic measurements using a calibrated Fourier transform infrared spectrometer were performed on synthetic uranium dioxide (UO2), high-purity crystalline uraninite, and massive uraninite mineral. The massive uraninite mineral was found to contain not only UO2 but also large amounts of calcite and silicates. From the experimentally measured reflectance spectra across two spectral domains (the far- and mid-infrared) the fundamental optical constants n and k were calculated using the Kramers-Kronig transformation for each species. We discuss both the derived n and k results for these species as well as the careful sample preparation needed in order to mount, polish, and measure such samples through a wide spectral range using modern instrumentation and data processing techniques. Our results for the optical constants n and k of synthetic UO2 differ significantly from previously published literature values. This is attributed to both improved spectroscopic resolution but also to a better understanding of potential surface oxidation effects on the measured reflectance values, and hence the calculated optical constants.

DeVetter, Brent M.↗